⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL2996456 | 0.83 | COMT (0.32) | — | |
| SCHEMBL17537339 | 0.72 | CYP2A6 (0.45) | — | |
| SCHEMBL29954559 | 0.69 | CCR1 (0.34) | — | |
| SCHEMBL1052021 | 0.66 | CYP2A6 (0.52) | — | |
| SCHEMBL29797287 | 0.66 | CYP2A6 (0.52) | — | |
| Hydrochloric Acid SCHEMBL7319620 | 0.64 | CYP2A6 (0.50) | — | |
| SCHEMBL30665364 | 0.61 | TRPV4 (0.42) | — | |
| SCHEMBL30952445 | 0.60 | TRPM5 (0.39) | — | |
| Benzo[D]Isoxazole SCHEMBL5773956 | 0.58 | TDP1 (0.35) | — | |
| SCHEMBL2042500 | 0.58 | ALDH1A1 (0.33) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7713964-B2 | Methods for treating asthmatic conditions | WYETH LLC (US) | 2010-05-11 | — | — | US | disclosed |
| US-7605156-B2 | Methods for the use of inhibitors of cytosolic phospholipase A2 | WYETH (US) | 2009-10-20 | — | — | US | disclosed |